He Lin, Shun-Guan Zhu, Lin Zhang, Xin-Hua Peng, Peng-Yuan Chen and Hong-Zhen Li Intermolecular interactions, thermodynamic properties, crystal structure, and detonation performance of HMX/NTO cocrystal explosive International Journal of Quantum Chemistry 113
High energy density explosives like HMX have many military and industrial applications. However, it is desirable to reduce the sensitivity of such explosives to reduce the potential of accidental detonation. A promising approach for this goal is the development of cocrystal explosives, consisting of HMX and an insensitive energetic material. In this work, a new cocrystal explosive with strong intermolecular interactions, thermal stability, and good detonation performances is designed in silico.
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